Base information
| Cat. No. | |
| CAS No. | 1621169-52-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C133H227N43O33 |
| Molecular Weight | 2956.49 |
| Exact Mass | 2954.74 |
| XLogP3 | 7.5884 |
| Mr | 767.448 |
| PSA | 1301.33 |
| Sequence | - |
| Atom number | 436 |
| Bond number | 438 |
| Ring number | 3 |
| Rotor number | 130 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)CC(C)C)CCCCN)CO)CC(C)C)[C@H](CC)C)CCC(=O)N)[C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N)C)CCCNC(=N)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccc(cc1)O)CO)CCCNC(=N)N)CCC(=O)O)C |